I want to attach a stabilizing agent Poly Ethylene Glycol (PEG) and a Ferrocene ligand on nanoparticles through a computational simulations. From which software this type of simulation is possible?
Kindly response
08 August 2024 1,214 2 View
Are there any suggestions or insights you can provide to help address this problem
06 August 2024 1,443 2 View
I got comment on my FTIR data figure from a reviewer. The reviewer said "FTIR data in Figure should be repeated. there is no bassline." I made Y off set comparison graph of FTIR on OriginLab. Can...
03 August 2024 6,070 3 View
I want to know that n-doped side of solar cell is connected with positive or negative electrode.
20 July 2024 1,348 2 View
I want to write article in a topic of positive role of politics in nursing, and I'm confused how can we add add questionnaire and what will be the questionnaires.
18 July 2024 10,021 3 View
Dear Colleagues, I hope this message finds you well. My name is Noor Al-Huda K. Hussein,and I am a researcher specializing in deep learning applications in genetic data analysis. I am currently...
18 July 2024 5,562 0 View
Dear Colleagues, I hope this message finds you well. My name is Noor Al-Huda K. Hussein, and I am a researcher specializing in deep learning applications in genetic data analysis. I am currently...
16 July 2024 3,981 6 View
We are trying to coat some cathode materials on Al-foil ( ex - LiFePO4 , S@CNT, etc). When we coated the Al foil with the cathode (ex - S@CNT) material , the cycling result was annoying. But the...
09 July 2024 5,123 4 View
Hi everyone hope your all doing good. I’ve been looping my scripts and am trying to take a cut line of the conduction band energy with respect to y for each loop. Basically, I want to take a...
03 July 2024 9,134 1 View
Hi all, I am working on both primary hippocampal mouse neurons and i3Neurons to isolate axonal material. I plate them in microfluidic devices in house made (like any other you can find on the...
01 July 2024 8,070 0 View
why don't d-orbitals split themselves because of themselves without the presence of ligands? Electrons are indistinguishable. Why wouldn't it be more correct that protons from a ligand split the...
03 August 2024 3,589 3 View
I'm guessing it's because the ligand experiences too much electron repulsion or proton repulsion from the chromium to insert them close to the 3d-orbitals which are close to the metal nucleus. Is...
03 August 2024 1,370 1 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,084 8 View
Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
28 July 2024 2,136 4 View
If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
28 July 2024 673 3 View